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N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
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ChemBase ID:
120067
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Molecular Formular:
C12H12N2O
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Molecular Mass:
200.23648
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Monoisotopic Mass:
200.09496301
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SMILES and InChIs
SMILES:
c12[nH]c3c(c1CCC/C/2=N/O)cccc3
Canonical SMILES:
O/N=C\1/CCCc2c1[nH]c1c2cccc1
InChI:
InChI=1S/C12H12N2O/c15-14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,13,15H,3,5,7H2/b14-11-
InChIKey:
KQJSIMCYBGAJEF-KAMYIIQDSA-N
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Cite this record
CBID:120067 http://www.chembase.cn/molecule-120067.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
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IUPAC Traditional name
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N-[(1Z)-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine
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Synonyms
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(Z)-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.673278
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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2.3082721
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LogD (pH = 7.4)
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2.3093514
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Log P
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2.3093677
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Molar Refractivity
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59.1124 cm3
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Polarizability
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23.52476 Å3
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Polar Surface Area
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48.38 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent